[gmx-users] regarding boxtype and numer of solvent molecules..

[Mark Abraham]

On 24/01/2012 3:47 PM, priya thiyagarajan wrote:
> hello sir,
> Thanks for your kind reply..
>
> 15 boxtype accomodates 105046 solvent molecules..

Hence why adding a maximum of 50000 solvent molecules left lots of empty 
space.

>
> but i need to run simulation by keeping  number of water molecules 
> constant and changing number of protein molecules..

You can't do that and keep density normal and box size constant.

Mark